Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129216
Preview
| Coordinates | 7129216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H27 N O5 |
|---|---|
| Calculated formula | C33 H27 N O5 |
| SMILES | O=C1OCCOCCOc2cc(c3ncccc3c2c2c3ccccc3ccc2)CC1C(=O)c1ccccc1 |
| Title of publication | Rh(III)-Catalyzed Mild Straightforward Synthesis of Quinoline-Braced Cyclophane Macrocycles via Migratory Insertion |
| Authors of publication | Ghosh, Bidhan; Bera, Satabdi; Ghosh, Pintu; Samanta, Rajarshi |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 8.649 ± 0.004 Å |
| b | 11.578 ± 0.005 Å |
| c | 13.602 ± 0.007 Å |
| α | 89.58 ± 0.05° |
| β | 77.17 ± 0.03° |
| γ | 77.71 ± 0.04° |
| Cell volume | 1296.5 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2485 |
| Residual factor for significantly intense reflections | 0.0993 |
| Weighted residual factors for significantly intense reflections | 0.2207 |
| Weighted residual factors for all reflections included in the refinement | 0.3292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270543 (current) | 2021-11-10 | cif/ Adding structures of 7129216 via cif-deposit CGI script. |
7129216.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.